acetate

ScientificNameLabel

acetate
PHCD compound ID :	3334
Chemical Names :	acetate
Molecular Formula :	C2H3O2
Molecular Weight :	59.013304

More Details :

Names & Synonyms:	acetate , ethanoate
Smiles:	[O-]C(=O)C
InChi :	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChi Key :	InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
PubChem ID :	175

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	4.199693
Hydrogen bond donor count :	0	Electric dipole moment :	4.041
XLogP :	-0.561	VDW volume :	56.774193
Molecular weight :	59.013304	HOMO-LUMO gap :	12.190000

Herb list :

Valerian - Valeriana officinalis - سنبل الطیب، والرین، سنبل الطیب اروپایی

Refrences & Litretures:


453. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1997' Volume:'12' Page:'359' DOI:'' Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'

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